1-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidin-2-one

• ChemBase ID: 235998
• Molecular Formular: C14H18N2O
• Molecular Mass: 230.30552
• Monoisotopic Mass: 230.14191321
• SMILES: N1(C(=O)CCC1)CCC1c2c(NC1)cccc2
• Canonical SMILES: O=C1CCCN1CCC1CNc2c1cccc2
• InChI: InChI=1S/C14H18N2O/c17-14-6-3-8-16(14)9-7-11-10-15-13-5-2-1-4-12(11)13/h1-2,4-5,11,15H,3,6-10H2
• InChIKey: PPAZUSXZKKRWGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidin-2-one
• Synonyms: 1-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidin-2-one

Database IDs

• MDL Number: MFCD09939360
• PubChem SID: 164291908
• PubChem CID: 24700363

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.007735
• LogD (pH = 7.4): 1.0212442
• Log P: 1.0214192
• Molar Refractivity: 69.456 cm^3
• Polarizability: 25.948746 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.204

Product Information

• Purity: 95%